7-(2-methoxyethyl)-3-methyl-1-(2-piperidin-1-ylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-1-(2-piperidin-1-ylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-1-[2-(1-piperidinyl)ethyl]-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-1-(2-piperidin-1-ylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-1-(2-piperidinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C22H33N7O3 MolecularWeight: 443.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCN4CCCCC4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCN4CCCCC4)C

InChI

InChI=1S/C22H33N7O3/c1-15-16(2)24-29(17(15)3)21-23-19-18(27(21)13-14-32-5)20(30)28(22(31)25(19)4)12-11-26-9-7-6-8-10-26/h6-14H2,1-5H3